CID 23356

Hexyl azide

Structural Information

Molecular Formula

C₆H₁₃N₃

SMILES

CCCCCCN=[N+]=[N-]

InChI

InChI=1S/C6H13N3/c1-2-3-4-5-6-8-9-7/h2-6H2,1H3

InChIKey

KFQRCGONYHVDKX-UHFFFAOYSA-N

Compound name

1-azidohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 224
Patents: 127.11095 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	128.118226	126.8
[M+Na]+	150.100168	133.0
[M-H]-	126.103674	129.8
[M+NH4]+	145.144773	149.3
[M+K]+	166.074108	128.9
[M+H-H2O]+	110.108210	125.8
[M+HCOO]-	172.109151	157.5
[M+CH3COO]-	186.124801	177.6
[M+Na-2H]-	148.085616	137.0
[M]+	127.11040142	126.3
[M]-	127.11149858	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe